(3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone

C16H21FN2O — CID 3235376

IUPAC(3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C16H21FN2O/c1-18-9-7-16(11-18)6-3-8-19(12-16)15(20)13-4-2-5-14(17)10-13/h2,4-5,10H,3,6-9,11-12H2,1H3/t16-/m0/s1
InChIKeyNQEGBVDLLSRYOL-INIZCTEOSA-N
MW276.35 g/mol
LogP2.38
Rot. Bonds1

About (3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone

(3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3235376) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3235376
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C16H21FN2O/c1-18-9-7-16(11-18)6-3-8-19(12-16)15(20)13-4-2-5-14(17)10-13/h2,4-5,10H,3,6-9,11-12H2,1H3/t16-/m0/s1
InChIKeyNQEGBVDLLSRYOL-INIZCTEOSA-N
XLogP2.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3235376) is (3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone is CN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1.
What is the InChIKey of (3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is NQEGBVDLLSRYOL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-18-9-7-16(11-18)6-3-8-19(12-16)15(20)13-4-2-5-14(17)10-13/h2,4-5,10H,3,6-9,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 276.35 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3235376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).